3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide

C21H20N2O2 — CID 112986095

IUPAC3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N(C)c3ccccc3)cc2)c1
InChIInChI=1S/C21H20N2O2/c1-23(18-8-4-3-5-9-18)19-13-11-17(12-14-19)22-21(24)16-7-6-10-20(15-16)25-2/h3-15H,1-2H3,(H,22,24)
InChIKeyBRJCMTAORNCOHY-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.72
Rot. Bonds5

About 3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide

3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide (PubChem CID 112986095) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
PubChem CID112986095
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N(C)c3ccccc3)cc2)c1
InChIInChI=1S/C21H20N2O2/c1-23(18-8-4-3-5-9-18)19-13-11-17(12-14-19)22-21(24)16-7-6-10-20(15-16)25-2/h3-15H,1-2H3,(H,22,24)
InChIKeyBRJCMTAORNCOHY-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide
CID 74313239
N-(4-methoxyphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242318
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide (CID 112986095) is 3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(N(C)c3ccccc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide?
The InChIKey is BRJCMTAORNCOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-23(18-8-4-3-5-9-18)19-13-11-17(12-14-19)22-21(24)16-7-6-10-20(15-16)25-2/h3-15H,1-2H3,(H,22,24).
What are the key properties of 3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide?
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide is sourced from PubChem (CID 112986095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).